(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

C19H13ClN2O — CID 59971441

IUPAC(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-5-1-4-12(10-13)15-7-2-8-17-18(15)16(19(23)22-17)11-14-6-3-9-21-14/h1-11,21H,(H,22,23)/b16-11-
InChIKeyXYSHPKHFHIMWMS-WJDWOHSUSA-N
MW320.78 g/mol
LogP4.83
Rot. Bonds2

About (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one

(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (PubChem CID 59971441) has the molecular formula C19H13ClN2O and a molecular weight of 320.78 g/mol. Its IUPAC name is (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.

Molecular Properties

Compound Name(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
PubChem CID59971441
Molecular FormulaC19H13ClN2O
Molecular Weight320.78 g/mol
Exact Mass320.07
IUPAC Name(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one
SMILESO=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1ccc[nH]1
InChIInChI=1S/C19H13ClN2O/c20-13-5-1-4-12(10-13)15-7-2-8-17-18(15)16(19(23)22-17)11-14-6-3-9-21-14/h1-11,21H,(H,22,23)/b16-11-
InChIKeyXYSHPKHFHIMWMS-WJDWOHSUSA-N
XLogP4.83
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The IUPAC name of (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one (CID 59971441) is (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one.
What is the SMILES notation for (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The canonical SMILES for (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is O=C1Nc2cccc(-c3cccc(Cl)c3)c2/C1=C/c1ccc[nH]1.
What is the InChIKey of (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
The InChIKey is XYSHPKHFHIMWMS-WJDWOHSUSA-N. The full InChI is InChI=1S/C19H13ClN2O/c20-13-5-1-4-12(10-13)15-7-2-8-17-18(15)16(19(23)22-17)11-14-6-3-9-21-14/h1-11,21H,(H,22,23)/b16-11-.
What are the key properties of (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one?
(3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one has a molecular weight of 320.78 g/mol, XLogP of 4.83, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-(3-chlorophenyl)-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-2-one is sourced from PubChem (CID 59971441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).